CID 125329358

1160170-07-9

Structural Information

Molecular Formula
C14H14N2O6
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)C(=O)O
InChI
InChI=1S/C14H14N2O6/c17-12-8-21-6-5-15(12)9-1-3-10(4-2-9)16-7-11(13(18)19)22-14(16)20/h1-4,11H,5-8H2,(H,18,19)/t11-/m1/s1
InChIKey
SRPDKSYHAUEWIX-LLVKDONJSA-N
Compound name
(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

306.08517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09245 166.4
[M+Na]+ 329.07439 172.4
[M-H]- 305.07789 173.3
[M+NH4]+ 324.11899 176.1
[M+K]+ 345.04833 172.0
[M+H-H2O]+ 289.08243 158.0
[M+HCOO]- 351.08337 180.4
[M+CH3COO]- 365.09902 199.6
[M+Na-2H]- 327.05984 166.4
[M]+ 306.08462 164.5
[M]- 306.08572 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.